| CAS Number | 1235439-82-3 |
| Catalog Number | AG01A8J5(AGN-PC-0WOW03) |
| Chemical Name | (1,3-Dihydroisobenzofuran-5-yl)methanamine hydrochloride |
| IUPAC Name | 1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride |
| InChI | InChI=1S/C9H11NO.ClH/c10-4-7-1-2-8-5-11-6-9(8)3-7;/h1-3H,4-6,10H2;1H |
| InChI Key | JDRYRWYXGCKYNS-UHFFFAOYSA-N |
| MDL Number | MFCD16040077 |
| Molecular Formula | C9H12ClNO |
| Molecular Weight | 185.6507 |
| SMILES | NCc1ccc2c(c1)COC2.Cl |
| Synonyms | 1,3-dihydro-2-benzofuran-5-ylmethanamine hydrochloride,
1235439-82-3,
AC1Q3D8A,
9619AH,
AKOS016909487,
MCULE-9409529207,
NE31754,
EN300-61734,
(1,3-Dihydroisobenzofuran-5-yl)methanamine hydrochloride,
C9H11NO.HCl,
C-(1,3-Dihydro-isobenzofuran-5-yl)-methylamine hydrochloride,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.651g/mol |
| Monoisotopic Mass | 185.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number